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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinazolines > 4-[(3-chloro-4-fluorophenyl)amino]-6-/{3-[(3-hydroxypropyl)amino]propoxy/}quinazolin-7-ol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinazolines > 4-[(3-chloro-4-fluorophenyl)amino]-6-/{3-[(3-hydroxypropyl)amino]propoxy/}quinazolin-7-ol

Preferred term

4-[(3-chloro-4-fluorophenyl)amino]-6-/{3-[(3-hydroxypropyl)amino]propoxy/}quinazolin-7-ol  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C20H22ClFN4O3

inchi

  • InChI=1S/C20H22ClFN4O3/c21-15-9-13(3-4-16(15)22)26-20-14-10-19(18(28)11-17(14)24-12-25-20)29-8-2-6-23-5-1-7-27/h3-4,9-12,23,27-28H,1-2,5-8H2,(H,24,25,26)

inchikey

  • NHNKEQLSJJVGSG-UHFFFAOYSA-N

mass

  • 420.866

monoisotopicmass

  • 420.136

smiles

  • ClC1=C(F)C=CC(=C1)NC2=NC=NC=3C2=CC(OCCCNCCCO)=C(C3)O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:143406

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